N-cyclopropyl-N'-methyl-2-methylidene-N'-(oxan-4-yl)propane-1,3-diamine

C13H24N2O — CID 103069466

IUPACN-cyclopropyl-N'-methyl-2-methylidene-N'-(oxan-4-yl)propane-1,3-diamine
SMILESC=C(CNC1CC1)CN(C)C1CCOCC1
InChIInChI=1S/C13H24N2O/c1-11(9-14-12-3-4-12)10-15(2)13-5-7-16-8-6-13/h12-14H,1,3-10H2,2H3
InChIKeyZLZDKDWPFYYVOQ-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.41
Rot. Bonds6

About N-cyclopropyl-N'-methyl-2-methylidene-N'-(oxan-4-yl)propane-1,3-diamine

N-cyclopropyl-N'-methyl-2-methylidene-N'-(oxan-4-yl)propane-1,3-diamine (PubChem CID 103069466) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N-cyclopropyl-N'-methyl-2-methylidene-N'-(oxan-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N'-methyl-2-methylidene-N'-(oxan-4-yl)propane-1,3-diamine
PubChem CID103069466
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN-cyclopropyl-N'-methyl-2-methylidene-N'-(oxan-4-yl)propane-1,3-diamine
SMILESC=C(CNC1CC1)CN(C)C1CCOCC1
InChIInChI=1S/C13H24N2O/c1-11(9-14-12-3-4-12)10-15(2)13-5-7-16-8-6-13/h12-14H,1,3-10H2,2H3
InChIKeyZLZDKDWPFYYVOQ-UHFFFAOYSA-N
XLogP1.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[3-(cyclopropylmethoxy)propyl]-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43770798
N-cyclopropyl-N'-methyl-N'-(oxan-4-yl)propane-1,3-diamine
CID 60867673
N-cyclopropyl-N',2,2-trimethyl-N'-(oxan-4-yl)propane-1,3-diamine
CID 62256319
N-(2-methylprop-2-en-1-yl)oxan-4-amine
CID 62331163
N-cyclopropyl-N',2-dimethyl-N'-(oxan-4-yl)propane-1,3-diamine
CID 62432744
N-(2-methylidenebutyl)oxan-4-amine
CID 66044496
1-(2-methylprop-2-enyl)-N-(oxan-4-yl)piperidin-4-amine
CID 71926596
N-[2-[(4-methoxypiperidin-1-yl)methyl]prop-2-enyl]cyclopropanamine
CID 103069332
N-[2-[(3-methylmorpholin-4-yl)methyl]prop-2-enyl]cyclopropanamine
CID 103069369
N,N'-dimethyl-2-methylidene-N'-(oxan-4-yl)propane-1,3-diamine
CID 103069460
N-methyl-2-methylidene-N-(oxan-4-yl)-N'-propan-2-ylpropane-1,3-diamine
CID 103069461
N-ethyl-N'-methyl-2-methylidene-N'-(oxan-4-yl)propane-1,3-diamine
CID 103069462

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-methyl-2-methylidene-N'-(oxan-4-yl)propane-1,3-diamine?
The IUPAC name of N-cyclopropyl-N'-methyl-2-methylidene-N'-(oxan-4-yl)propane-1,3-diamine (CID 103069466) is N-cyclopropyl-N'-methyl-2-methylidene-N'-(oxan-4-yl)propane-1,3-diamine.
What is the SMILES notation for N-cyclopropyl-N'-methyl-2-methylidene-N'-(oxan-4-yl)propane-1,3-diamine?
The canonical SMILES for N-cyclopropyl-N'-methyl-2-methylidene-N'-(oxan-4-yl)propane-1,3-diamine is C=C(CNC1CC1)CN(C)C1CCOCC1.
What is the InChIKey of N-cyclopropyl-N'-methyl-2-methylidene-N'-(oxan-4-yl)propane-1,3-diamine?
The InChIKey is ZLZDKDWPFYYVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-11(9-14-12-3-4-12)10-15(2)13-5-7-16-8-6-13/h12-14H,1,3-10H2,2H3.
What are the key properties of N-cyclopropyl-N'-methyl-2-methylidene-N'-(oxan-4-yl)propane-1,3-diamine?
N-cyclopropyl-N'-methyl-2-methylidene-N'-(oxan-4-yl)propane-1,3-diamine has a molecular weight of 224.35 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-methyl-2-methylidene-N'-(oxan-4-yl)propane-1,3-diamine is sourced from PubChem (CID 103069466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).